tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-oxidanylpropylsulfanyl)propanoate

Systemtic Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-oxidanylpropylsulfanyl)propanoate Openeye Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)propanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylsulfanyl)propanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-(3-hydroxypropylthio)propionic acid tert-butyl ester Formula: C20H29NO6S2 MolecularWeight: 443.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCCCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29NO6S2/c1-5-6-13-26-16-8-10-17(11-9-16)29(24,25)21-18(15-28-14-7-12-22)19(23)27-20(2,3)4/h8-11,18,21-22H,7,12-15H2,1-4H3